[4-[[4-chloranyl-3-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[4-chloranyl-3-(3-methylbutanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[4-chloro-3-(3-methylbutanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[4-chloro-3-[(3-methyl-1-oxobutyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[4-chloro-3-(3-methylbutanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[4-chloro-3-(isovalerylamino)anilino]-4-keto-butyl]ammonium Formula: C15H23ClN3O2+ MolecularWeight: 312.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C=CC(=C1)NC(=O)CCC[NH3+])Cl

Isomeric SMILES

CC(C)CC(=O)NC1=C(C=CC(=C1)NC(=O)CCC[NH3+])Cl

InChI

InChI=1S/C15H22ClN3O2/c1-10(2)8-15(21)19-13-9-11(5-6-12(13)16)18-14(20)4-3-7-17/h5-6,9-10H,3-4,7-8,17H2,1-2H3,(H,18,20)(H,19,21)/p+1